基本情報
- CAS
22189-32-8- 標準SMILES
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O- InChIKey
DCHJOVNPPSBWHK-UXXUFHFZSA-N- 分子式
- C14H36Cl2N2O12
- 平均分子量
- 495.3 g/mol
- 単同位体質量
- 494.16452995
概要
Spectinomycin hydrochloride hydrate is a hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It is a hydrate and a hydrochloride. It contains a spectinomycin(2+).
名称と識別子
- 優先名称
- Spectinomycin Hydrochloride
- IUPAC
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride
- 現地名
- スペクチノマイシン二塩酸塩五水和物
- 英語名
- Spectinomycin dihydrochloride pentahydrate
- 分子式
- C14H27ClN2O8
- 分子量
- 386.83
名称と別名
Spectinomycin hydrochlorideSpectinomycin HClSpectinomycin hydrochloride hydrateEspectinomicina dihydrochloride pentahydrateSpectogardU-18,409AEActinospectacin dihydrochloride pentahydrateSpectinomycin hcl pentahydrateHWT06H303ZSPECTINOMYCIN HYDROCHLORIDE PENTAHYDRATEU-18409AENSC-757319
名称をさらに表示
スペクチノマイシン二塩酸塩五水和物スペクチノマイシン 二塩酸塩 五水和物スペクチノマイシン塩酸塩水和物スペクチノマイシン塩酸塩水和物 (JP17)SPECTINOMYCIN PENTAHYDRATE DIHYDROCHLORIDEM 141D00869Trobicin (tn)SPECTINOMYCIN 2HCLSpectinomycin,≥98%
Spectinomycini hydrochloridumCHEBI:9217Spectam TabletsPROSPEC InjectableNSC248616RefChem:57027Spectinomycin Oral Liquidmagnesium;2-hydroxybenzoate
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 135 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 14
- 回転可能結合数
- 2
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 478
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal Drugs
Active Ingredients (Spectinomycin Hydrochloride Pentahydrate) -> FDA Greenbook
Active Ingredients (Spectinomycin dihydrochloride pentahydrate) -> FDA Greenbook
物理化学的性質
- 融点
- 205 · 205-207° (dec)
- 比旋光度
- 14.8 ° · D +14.8° (c = 0.42 in water)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 50 mg/mL、透明、微黄色
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 由来生物
- synthetic (inorganic)
- 水溶解度
- 水に溶かす。水、メタノール、ジメチルスルホキシド、エタノール、ジメチルホルムアミドに可溶。
- Merck
- 14 · 14,8739
- BRN
- 5684150 · 5684150
- 主な用途
- 臨床検査
- InChIKey
- DCHJOVNPPSBWHK-UXXUFHFZSA-N
- SMILES
- N([C@H]1[C@H]([C@@H](NC)[C@H](O)[C@@]2([H])O[C@]3([H])O[C@H](C)CC(=O)[C@]3(O)O[C@]12[H])O)C.Cl.O |&1:1,2,3,6,8,11,14,19,22,r|
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (3 of 54) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationSpectinomycin dihydrochloride pentahydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Spectinomycin hydrochloride
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
安全データ
- F
- 10
- wgk
- 2
- rtecs
- WG7400000
- 毒性
- mouse,LD50,intramuscular,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Japanese Journal of Antibiotics. Vol. 29, Pg. 43, 1976.
- hs_code
- 29419090
- safety_code
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
用途と製造
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
応用分野
用途アミノグリコシド系抗生物質 です。細菌リボソーム 30S に結合し、タン パク質合成を阻害します。淋菌に優れた抗菌 作用を示します。
説明Spectinomycin was found in the culture broth of Streptomyces spectabilis by Upjohn Co. in 1961. This antibiotic was intended for use in treating various infections, as are the other aminoglycoside antibiotics, but its activity is insufficient for clinical efficacy except against gonorrhea. Spectinomycin does not develop crossresistance with any other antibiotic and shows low toxicity; it is used by deep intramuscular injection for “single-session,” bolusinjection therapy of gonorrhea.
使用Spectinomycin Dihydrochloride Pentahydrate is a new animal drug application (ANADA) administered in the drinking water of chickens as an aid in the control of airsacculitis; Also, it is an aminocylcitol antibiotic.
一般的な説明A broad spectrum aminoglycoside antibiotic that contains two glucose moieties. Footprint studies indicate that spectinomycin exerts regional effects on ribosomal structure. A resistance gene (aph) which encodes a spectinomycin has been cloned from Legionella pneumophila (disease agent for Legionnaire’s disease) kinase and expressed in E. coli. Potency: ≥500 μg/mg.
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